trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide

C17H20N4O — CID 92565325

IUPACtrans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ncc(-c2ccccn2)c(CCNC(=O)[C@H]2C[C@@H]2C)n1
InChIInChI=1S/C17H20N4O/c1-11-9-13(11)17(22)19-8-6-16-14(10-20-12(2)21-16)15-5-3-4-7-18-15/h3-5,7,10-11,13H,6,8-9H2,1-2H3,(H,19,22)/t11-,13-/m0/s1
InChIKeyFQBGZXQRJMQPEH-AAEUAGOBSA-N
MW296.37 g/mol
LogP2.16
Rot. Bonds5

About trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 92565325) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID92565325
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Nametrans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ncc(-c2ccccn2)c(CCNC(=O)[C@H]2C[C@@H]2C)n1
InChIInChI=1S/C17H20N4O/c1-11-9-13(11)17(22)19-8-6-16-14(10-20-12(2)21-16)15-5-3-4-7-18-15/h3-5,7,10-11,13H,6,8-9H2,1-2H3,(H,19,22)/t11-,13-/m0/s1
InChIKeyFQBGZXQRJMQPEH-AAEUAGOBSA-N
XLogP2.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide (CID 92565325) is trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide is Cc1ncc(-c2ccccn2)c(CCNC(=O)[C@H]2C[C@@H]2C)n1.
What is the InChIKey of trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is FQBGZXQRJMQPEH-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-9-13(11)17(22)19-8-6-16-14(10-20-12(2)21-16)15-5-3-4-7-18-15/h3-5,7,10-11,13H,6,8-9H2,1-2H3,(H,19,22)/t11-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 92565325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).